(4R)-4-azaniumyl-4-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)butanoate

Systemtic Name: (4R)-4-azaniumyl-4-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)butanoate Openeye Name: (4R)-4-azaniumyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoate CAS Name: (4R)-4-ammonio-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoate IUPAC Name: (4R)-4-azaniumyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoate Traditional Name: (4R)-4-ammonio-4-(2-keto-1,3-dihydrobenzimidazol-5-yl)butyrate Formula: C11H13N3O3 MolecularWeight: 235.23922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(CCC(=O)[O-])[NH3+])NC(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1[C@@H](CCC(=O)[O-])[NH3+])NC(=O)N2

InChI

InChI=1S/C11H13N3O3/c12-7(2-4-10(15)16)6-1-3-8-9(5-6)14-11(17)13-8/h1,3,5,7H,2,4,12H2,(H,15,16)(H2,13,14,17)/t7-/m1/s1